UCSF

ZINC39953674

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 19 Yes

Other Names:

MFCD09996959

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.17 11.33 -46.44 0 2 -1 40 265.417 5
Lo Low (pH 4.5-6) 5.17 9.51 -4.22 1 2 0 37 266.425 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )